AtMetExpress Development LC-MS

Perk Nr:adp010538.

Polarity: [POSITIVE]
Retention time: 5.76
m/z: 369
Annotation:
Annotation level: Unknown
compound:
MS2Ts 24 MS2Ts
KNApSAcK C24H17O4(16):C24H18O5-H2O;
C16H21N2O6S1(16):3-Indolylmethyldesulfoglucosinolate; C16H20N2O6S;
C20H19N1O6(14):C20H18NO5+O;
C17H21O9(13):2beta,3beta-Epoxybishopantholide; C17H20O9; C17H20
C14H25O7S2(7):C8H14O2S2+C6H10O5;
C20H17O7(4):Averufin, Velloquercetin, Malaccol, 12a-Hydroxyero
C21H21O6(3):5'-Demethoxydeoxypodophyllotoxin, Curcumin, 4'-Hyd
C16H21N2O4S2(3):C16H20N2O3S2+O; C15H18N2O3S2+CH3O;
C14H21N6O4S1(3):C14H20N6O5S-O;
in-house MS/MS Sinapoyl malate_Ramp5-45 V(16)
Sinapic acid_Ramp5-45 V(15)
Sinapic acid_CE20(14)
2-O-Sinapoylmalate(14)
Sinapic acid_CE20(11)
(+-)-alpha-Tocopherol Acetateacid ester_CE30(7)
alpha-bisabolol_CE20(7)
cis-Nerolidol_CE30(7)
(+-)-alpha-Lipoic acid_CE10(7)
Farnesol (mixture of isomers)_CE20(7)
Unknown PCE#5_phenolic choline(7)
Ibuprofen_CE20(7)
Methyl Jasmonate_CE20(7)
Ibuprofen_CE10(7)
cerulenin_CE20(6)
cerulenin_CE30(6)
cis-Nerolidol_CE20(5)
alpha-bisabolol_CE30(3)
Represetative peak This peak

eFP visualizaion


Raw chromatograms


MS2Ts

ATH06p04740

ATH06p05591

ATH08p04787

ATH08p05397

ATH11p04784

ATH11p05318

ATH13p05456

ATH13p05459

ATH13p06155

ATH13p06158

ATH14p05768

ATH56p04745

ATH56p05244

ATH58p05467

ATH58p06408

ATH59p04941

ATH61p06321

ATH61p07116

ATH63p05145

ATH63p05148

ATH63p05683

ATH63p05948

ATH63p06472

ATH63p06740

Peak intensity data

Sample 1 2 3 4 Average
ATGE_1 0.0026 0.0015 0.0015 0.002 0.0019
ATGE_7 0.0309 0.038 0.0497 0.1191 0.0594
ATGE_9 0.0021 0.002 0.0023 0.002 0.0021
ATGE_10 0.0217 0.0237 0.0014 0.0014 0.0121
ATGE_12 0.0014 0.0017 0.002 0.0014 0.0016
ATGE_13 0.0015 0.0018 0.0022 0.0817 0.0218
ATGE_14 0.0224 0.0019 0.0094 0.0019 0.0089
ATGE_15 0.2157 0.0423 0.0205 0.0414 0.08
ATGE_16 0.1822 0.028 0.0152 0.1201 0.0864
ATGE_19 0.0109 0.0037 0.0135 0.0229 0.0128
ATGE_20 0.038 0.0387 0.0213 0.0588 0.0392
ATGE_21 0.0173 0.0282 0.0349 0.0297 0.0275
ATGE_25 0.0022 0.0018 0.0093 0.003 0.0041
ATGE_26 0.0026 0.0028 0.002 0.0016 0.0022
ATGE_27 0.0015 0.0016 0.0015 0.002 0.0017
ATGE_28 0.002 0.0018 0.0018 0.0023 0.002
ATGE_29 0.0692 0.1875 0.1979 0.0529 0.1269
ATGE_32 0.1036 0.1849 0.0385 0.0803 0.1018
ATGE_33 0.0882 0.0546 0.1062 0.1256 0.0937
ATGE_39 0.0337 0.0203 0.0265 0.0218 0.0256
ATGE_41 0.0016 0.0015 0.0012 0.0012 0.0014
ATGE_42 0.0102 0.0084 0.01 0.0166 0.0113
ATGE_45 0.0385 0.0422 0.0283 0.029 0.0345
ATGE_76 0.0022 0.0017 0.0016 0.002 0.0019
ATGE_77 0.0017 0.0022 0.003 0.0019 0.0022
ATGE_78 0.002 0.1228 0.6274 0.1828 0.2338
ATGE_84 0.3275 0.3009 0.3115 0.4104 0.3376
ATGE_91 0.8417 0.4549 0.5287 0.8778 0.6758
ATGE_92 0.0017 0.0155 0.0294 0.0016 0.012
ATGE_93 0.002 0.002 0.0021 0.0015 0.0019
ATGE_95 0.0021 0.0019 0.0018 0.0015 0.0018
ATGE_96 0.142 0.0932 0.4541 0.3926 0.2705
ATGE_97 0.3132 0.3322 0.4066 0.5982 0.4126
ATGE_98 0.0015 0.0034 0.0016 0.0015 0.002
ATGE_99 0.0019 0.0013 0.0019 0.0021 0.0018
ATGE_101 0.5491 0.189 0.1933 0.4936 0.3562
RIKEN Plant Science Center
Metabolome analysis research team, LC-MS Branch